3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one

C14H14N2OS — CID 47117586

IUPAC3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccsc1C1Nc2ccccc2C(=O)N1C
InChIInChI=1S/C14H14N2OS/c1-9-7-8-18-12(9)13-15-11-6-4-3-5-10(11)14(17)16(13)2/h3-8,13,15H,1-2H3
InChIKeyTTYPXUXQWJOQTE-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.25
Rot. Bonds1

About 3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one

3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 47117586) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
PubChem CID47117586
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccsc1C1Nc2ccccc2C(=O)N1C
InChIInChI=1S/C14H14N2OS/c1-9-7-8-18-12(9)13-15-11-6-4-3-5-10(11)14(17)16(13)2/h3-8,13,15H,1-2H3
InChIKeyTTYPXUXQWJOQTE-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one (CID 47117586) is 3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one is Cc1ccsc1C1Nc2ccccc2C(=O)N1C.
What is the InChIKey of 3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is TTYPXUXQWJOQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-9-7-8-18-12(9)13-15-11-6-4-3-5-10(11)14(17)16(13)2/h3-8,13,15H,1-2H3.
What are the key properties of 3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 258.35 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 47117586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).